N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide

C22H21ClN6O2 — CID 18728005

IUPACN-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide
SMILESCN1CCN=C1c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1
InChIInChI=1S/C22H21ClN6O2/c1-28-12-11-24-19(28)14-3-5-15(6-4-14)21(30)27-20-18(13-25-29(20)2)22(31)26-17-9-7-16(23)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyRWEHSMYNPAQWPK-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.27
Rot. Bonds5

About N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide

N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide (PubChem CID 18728005) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide
PubChem CID18728005
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC NameN-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide
SMILESCN1CCN=C1c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1
InChIInChI=1S/C22H21ClN6O2/c1-28-12-11-24-19(28)14-3-5-15(6-4-14)21(30)27-20-18(13-25-29(20)2)22(31)26-17-9-7-16(23)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyRWEHSMYNPAQWPK-UHFFFAOYSA-N
XLogP3.27
TPSA91.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide (CID 18728005) is N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide is CN1CCN=C1c1ccc(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn2C)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide?
The InChIKey is RWEHSMYNPAQWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-28-12-11-24-19(28)14-3-5-15(6-4-14)21(30)27-20-18(13-25-29(20)2)22(31)26-17-9-7-16(23)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide?
N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methyl-5-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]pyrazole-4-carboxamide is sourced from PubChem (CID 18728005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).